Re: [AMBER] distance restraint failed in minimization and MD

From: David A Case <david.case.rutgers.edu>
Date: Wed, 8 May 2019 08:09:24 -0400

On Wed, May 08, 2019, wujue wrote:

>LISTONT=POUT

Above should be "LISTOUT"; that may be preventing the code from
recognizing the next line:
>
>DISANG=dist.RST
>
> RESTRAINTS:
> No valid redirection requests found

Try changing or removing the bad line and see what happens.

...dac


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Received on Wed May 08 2019 - 05:30:03 PDT